cis-4-Methylcyclohexanol - ≥98%(GC) , CAS No.7731-28-4

CAS: 7731-28-4 Cat. No.: C153285 Fórmula: C₇H₁₄O Peso molecular: 114.19 Beilstein Registry Number: 6(3)73 Número EC: 231-789-1

GRADE & PURITY ≥98%(GC)

Synonyms

4-METHYLCYCLOHEXANOL | ethyl2,6-dichloro-5-fluoropyridine-3-carboxylate | SB84127 | SY043391 | ZLJ21O6WVR | UNII-1UK9W4X7H9 | 4-Methylcyclohexanol,mixture of cis and trans | AM9714 | p-Methylcyclohexanol | UNII-ZLJ21O6WVR | AI3-01169 | FT-0636584 | 4-Meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-METHYLCYCLOHEXANOL | ethyl2,6-dichloro-5-fluoropyridine-3-carboxylate | SB84127 | SY043391 | ZLJ21O6WVR | UNII-1UK9W4X7H9 | 4-Methylcyclohexanol,mixture of cis and trans | AM9714 | p-Methylcyclohexanol | UNII-ZLJ21O6WVR | AI3-01169 | FT-0636584 | 4-Meth

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181370
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181370
• Sonrisas canónicas: CC1CCC(CC1)O
• IUPAC Name: 4-methylcyclohexan-1-ol
• InChIKey: MQWCXKGKQLNYQG-UHFFFAOYSA-N
• INCHI: 1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3
• Isómeros SMILES: CC1CCC(CC1)O
• Peso molecular: 114.19
• Beilstein: 6(3)73
• Reaxy-Rn: 1445998
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1445998&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Practically insoluble; Soluble in Ether,Alcohol
• Índice de refracción: 1.46
• Punto de inflamación (°F): 70°C(lit.)
• Punto de inflamación (°C): 70°C(lit.)
• Punto de ebullición (°C): 171°C
• Peso molecular: 114.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.104 Da
• Monoisotopic Mass: 114.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Baoyu Wang, Peng Zhou, Ximing Yan, Hu Li, Hongguo Wu, Zehui Zhang.  (2023)  Cooperative catalysis of Co single atoms and nanoparticles enables selective CAr−OCH3 cleavage for sustainable production of lignin-based cyclohexanols.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2022.12.020]

2. Zhikun Peng, Zhixi Wu, Xiaotong Sun, Hongji Li.  (2023)  Photocatalytic transfer hydrogenolysis of aryl ethers.  GREEN CHEMISTRY,  25  (17): (6869-6880).  [PMID:] [10.1039/D3GC02338A]

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7731-28-4, the molecular formula is C7H14O, and the molecular weight is 114.19 g/mol. InChIKey MQWCXKGKQLNYQG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.